N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide

C19H16Cl2N2O2S — CID 91594189

IUPACN-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc(NCc2ccc(Cl)s2)ccc1Cl
InChIInChI=1S/C19H16Cl2N2O2S/c20-16-8-6-13(22-11-15-7-9-18(21)26-15)10-17(16)23-19(24)12-25-14-4-2-1-3-5-14/h1-10,22H,11-12H2,(H,23,24)
InChIKeyXEQYZTJQSQGYBF-UHFFFAOYSA-N
MW407.32 g/mol
LogP5.68
Rot. Bonds7

About N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide

N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide (PubChem CID 91594189) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide
PubChem CID91594189
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC NameN-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc(NCc2ccc(Cl)s2)ccc1Cl
InChIInChI=1S/C19H16Cl2N2O2S/c20-16-8-6-13(22-11-15-7-9-18(21)26-15)10-17(16)23-19(24)12-25-14-4-2-1-3-5-14/h1-10,22H,11-12H2,(H,23,24)
InChIKeyXEQYZTJQSQGYBF-UHFFFAOYSA-N
XLogP5.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 2995282
N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 1313538
N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982593
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 4511691
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 54864777
2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 3905264
4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide
CID 38955675
2-(5-chlorothiophen-2-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41340579

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide (CID 91594189) is N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cc(NCc2ccc(Cl)s2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide?
The InChIKey is XEQYZTJQSQGYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c20-16-8-6-13(22-11-15-7-9-18(21)26-15)10-17(16)23-19(24)12-25-14-4-2-1-3-5-14/h1-10,22H,11-12H2,(H,23,24).
What are the key properties of N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide?
N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide has a molecular weight of 407.32 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 91594189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).